이름: 5-bromo-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILES:
C1CN(CC1O)C2=C(C=C(C=N2)C(=O)NC3=CC=C(C=C3)OC(F)(F)F)BrMolecular Processing
Molecular formula
C17H15BrF3N3O3
Molecular weight
446.22
Exact mass
445.0249
XLogP
3.57
TPSA
74.69
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
27
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.294
Molar refractivity
95.85
Supplementary Information
InChIKey: UOXPAGUZSAEUPX-GFCCVEGCSA-N
동의어
(R)-5-bromo-6-(3-hydroxypyrrolidin-1-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamideSCHEMBL15388506
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